ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide

C9H15BrN2O2S — CID 18322789

IUPACethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide
SMILESBr.CCOC(=O)CCCc1csc(N)n1
InChIInChI=1S/C9H14N2O2S.BrH/c1-2-13-8(12)5-3-4-7-6-14-9(10)11-7;/h6H,2-5H2,1H3,(H2,10,11);1H
InChIKeyGGPHAOCGDDDDPS-UHFFFAOYSA-N
MW295.20 g/mol
LogP2.19
Rot. Bonds5

About ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide

ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide (PubChem CID 18322789) has the molecular formula C9H15BrN2O2S and a molecular weight of 295.20 g/mol. Its IUPAC name is ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide.

Molecular Properties

Compound Nameethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide
PubChem CID18322789
Molecular FormulaC9H15BrN2O2S
Molecular Weight295.20 g/mol
Exact Mass294.00
IUPAC Nameethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide
SMILESBr.CCOC(=O)CCCc1csc(N)n1
InChIInChI=1S/C9H14N2O2S.BrH/c1-2-13-8(12)5-3-4-7-6-14-9(10)11-7;/h6H,2-5H2,1H3,(H2,10,11);1H
InChIKeyGGPHAOCGDDDDPS-UHFFFAOYSA-N
XLogP2.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
CID 780427
Methyl 4-(2-amino-1,3-thiazol-4-yl)butanoate
CID 21699734
4-(2-Amino-1,3-thiazol-4-yl)butanoic acid
CID 21699743
Ethyl 6-(2-amino-1,3-thiazol-4-yl)hexanoate hydrochloride
CID 155858347
Methyl 4-[2-(2-[2,2,2-trifluoroethyl]guanidino)thiazol-4-yl]butyrate
CID 20202839
Ethyl 3-(2-amino-1,3-thiazol-4-yl)propanoate
CID 11310165
2-Amino-4-(8-carboethoxyoctyl) thiazole
CID 129727586
Methyl 4-[2-(4,4,4-trifluorobutanoylamino)-1,3-thiazol-4-yl]butanoate
CID 80210636
Methyl 4-[2-(3,3,3-trifluoropropanoylamino)-1,3-thiazol-4-yl]butanoate
CID 80218837
Methyl 4-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-4-yl]butanoate
CID 80280993
4-[2-(2,2,2-Trifluoroethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656087
Methyl 4-[2-(trifluoromethylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 80662213

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide?
The IUPAC name of ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide (CID 18322789) is ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide.
What is the SMILES notation for ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide?
The canonical SMILES for ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide is Br.CCOC(=O)CCCc1csc(N)n1.
What is the InChIKey of ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide?
The InChIKey is GGPHAOCGDDDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.BrH/c1-2-13-8(12)5-3-4-7-6-14-9(10)11-7;/h6H,2-5H2,1H3,(H2,10,11);1H.
What are the key properties of ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide?
ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide has a molecular weight of 295.20 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-1,3-thiazol-4-yl)butanoate;hydrobromide is sourced from PubChem (CID 18322789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).